Chemical ID: 5581501

COc1cc2c(c(c1)OC)C(=O)CC(O2)c3ccccc3
Chemical ID:
5581501
Name [?]:
5,7-dimethoxy-2-phenyl-chroman-4-one
SMILES [?]:
COc1cc2c(c(c1)OC)C(=O)CC(O2)c3ccccc3
InChi [?]:
InChI=1/C17H16O4/c1-19-12-8-15(20-2)17-13(18)10-14(21-16(17)9-12)11-6-4-3-5-7-11/h3-9,14H,10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,10,19,18,20,17,21,8,4,13,16,3,11,14,7,5,6,12,2,9,15/E:(4,5)(6,7)/rA:21cCOCCCCCCOCCOCCOCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s6;d11;s11;s13;s5s14;s14;s16;d17;s18;d19;d16s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H16O4
All Atoms:21
Heavy Atoms:21
Chiral Atoms:1
ZAP Information [?]
Total:5.96384
Area:464.036
Solvation:-5.63706
Coulombic:-29.2784
Bond Count [?]
All:23
Single:16
Double:7
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:284.307
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.04
LogP (Chemaxon):2.34

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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